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136788-52-8 | Benzenamine, N,N'-(2,4-dibutyl-1,2,4-thiadiazolidine-3,5-diylidene)bis- (9CI)
CAS No: 136788-52-8 Catalog No: AG0012CN MDL No:
Product Description
Catalog Number:
AG0012CN
Chemical Name:
Benzenamine, N,N'-(2,4-dibutyl-1,2,4-thiadiazolidine-3,5-diylidene)bis- (9CI)
CAS Number:
136788-52-8
Molecular Formula:
C22H28N4S
Molecular Weight:
380.5495
IUPAC Name:
2,4-dibutyl-3-N,5-N-diphenyl-1,2,4-thiadiazolidine-3,5-diimine
InChI:
InChI=1S/C22H28N4S/c1-3-5-17-25-21(23-19-13-9-7-10-14-19)26(18-6-4-2)27-22(25)24-20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3
InChI Key:
QTQMUBYSFYLKQQ-UHFFFAOYSA-N
SMILES:
CCCCn1sc(=Nc2ccccc2)n(c1=Nc1ccccc1)CCCC
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.203g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.554g/mol
Monoisotopic Mass:
380.203g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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